Geometry & MOs

Info

ID:	70811
PubChem CID:	48413901
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	-76.0
Dipole, Da:	6.03
IP(EA), eV:	-9.37(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=CC(=C2)CS(=O)(=O)C

DOS

IR

Vibrations